[2-(4-methylpiperazin-1-yl)-1,3-benzothiazol-6-yl] 4-[butyl(methyl)sulfamoyl]benzoate

Systemtic Name: [2-(4-methylpiperazin-1-yl)-1,3-benzothiazol-6-yl] 4-[butyl(methyl)sulfamoyl]benzoate Openeye Name: [2-(4-methylpiperazin-1-yl)-1,3-benzothiazol-6-yl] 4-[butyl(methyl)sulfamoyl]benzoate CAS Name: 4-[butyl(methyl)sulfamoyl]benzoic acid [2-(4-methyl-1-piperazinyl)-1,3-benzothiazol-6-yl] ester IUPAC Name: [2-(4-methylpiperazin-1-yl)-1,3-benzothiazol-6-yl] 4-[butyl(methyl)sulfamoyl]benzoate Traditional Name: 4-[butyl(methyl)sulfamoyl]benzoic acid [2-(4-methylpiperazino)-1,3-benzothiazol-6-yl] ester Formula: C24H30N4O4S2 MolecularWeight: 502.6494

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)OC2=CC3=C(C=C2)N=C(S3)N4CCN(CC4)C

Isomeric SMILES

CCCCN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)OC2=CC3=C(C=C2)N=C(S3)N4CCN(CC4)C

InChI

InChI=1S/C24H30N4O4S2/c1-4-5-12-27(3)34(30,31)20-9-6-18(7-10-20)23(29)32-19-8-11-21-22(17-19)33-24(25-21)28-15-13-26(2)14-16-28/h6-11,17H,4-5,12-16H2,1-3H3